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1258618-34-6 | 4-Pyridinecarboxylic acid, 3-(4-methoxyphenyl)-
CAS No: 1258618-34-6 Catalog No: AG000OV7 MDL No:MFCD18085893
Product Description
Catalog Number:
AG000OV7
Chemical Name:
4-Pyridinecarboxylic acid, 3-(4-methoxyphenyl)-
CAS Number:
1258618-34-6
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD18085893
IUPAC Name:
3-(4-methoxyphenyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C13H11NO3/c1-17-10-4-2-9(3-5-10)12-8-14-7-6-11(12)13(15)16/h2-8H,1H3,(H,15,16)
InChI Key:
WNLJXXVBGINPOS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnccc1C(=O)O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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